Details of the Probe

General Information of Probe

Probe ID	LDPC0374
Probe Name	C132
Synonyms	Z4286347452
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	343.4
	Lipid-water partition coefficient (xlogp)	0.8
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C18H25N5O2 IUPAC Name 3-(3-but-3-ynyldiazirin-3-yl)-1-[(3S,4R)-3-(methoxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one Canonical SMILES CN1C=C(C=N1)C2CN(CC2COC)C(=O)CCC3(N=N3)CCC#C InChI InChI=1S/C18H25N5O2/c1-4-5-7-18(20-21-18)8-6-17(24)23-11-15(13-25-3)16(12-23)14-9-19-22(2)10-14/h1,9-10,15-16H,5-8,11-13H2,2-3H3/t15-,16-/m0/s1 InChIKey BWFBBZKWZUZVOZ-HOTGVXAUSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

6 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
dCTP pyrophosphatase 1 (DCTPP1)	LDTP12013	30.27	LDD1814
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)	LDTP01333	9.13	LDD1814
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2)	LDTP04211	12.64	LDD1814
Nicotinamide phosphoribosyltransferase (NAMPT)	LDTP04051	5.39	LDD1814
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10)	LDTP12628	8.22	LDD1814
Prostaglandin reductase 3 (PTGR3)	LDTP15422	17.63	LDD1814
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⏷ Show the Full List of 6 Enzyme

1 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	6.36	LDD1814
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5 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	6.11	LDD1814
Clustered mitochondria protein homolog (CLUH)	LDTP14486	11.63	LDD1814
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L)	LDTP08689	4.92	LDD1814
Neuferricin (CYB5D2)	LDTP15623	6.41	LDD1814
Protein CutA (CUTA)	LDTP01075	5.03	LDD1814
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Full Information of The Labelling Profiles of This Probe

Quantification: AfBPP Probe vs Negative Probe

Experiment 1 Reporting the Labelling Profiles of This Probe

REF [1]

Probe concentration

Probe:50uM; negative probe:50uM

Quantitative Method

TMT

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Peripheral blood

Disease Model

Normal

Model Name

Human normal cells (HEK-293T)

Note

Negative probe:C#CCCC1(CCC(NC)=O)N=N1

Interaction Atlas ID

LDD1814

References

1	Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26. Mass spectrometry data entry: PXD041587